Hi everyone, Is there anyway to do a lattice energy calculation on an organic crystal and then extract the interaction energy between pairs of molecules of interest from that? What I would like to know for example is how strongly a molecule as a whole interacts with its neighbours in particular directions in a crystal environment.
Thanking you in advance, Manuel Fernandes -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140117/5b53ecd5/attachment.html
